K263-0418 Screening compound: 2-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound K263-0418
2-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
K263-0418
Molecular Formula
C29H25N3O2S2 (C29 H25 N3 O2 S2)
Compound Name
2-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
IUPAC name
4-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-5-(2-phenylethyl)-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one
SMILES
O=C(CSC(N(CCc1ccccc1)C1=O)=Nc2c1sc1c2cccc1)N(CCC1)c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
511.67
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.071
Distribution Coefficient, logD
6.071
Water Solubility, LogSw
-6.02
Polar Surface Area
39.301
Acid Dissociation Constant (pKa)
26.00
Base Dissociation Constant (pKb)
-0.28
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.70
K263-0418 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with K263-0418 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)